%chk=000120973.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120973

0 1
 O   -4.820100       1.951100      8.2900003E-02
 O   -4.424200      -3.493800      9.1899998E-02
 N   0.9712000       1.171200      0.1231000    
 N    3.654500      0.1923000      0.1011000    
 C    1.310300     -5.1199999E-02 -0.6154000    
 C    1.810400       1.278700       1.323100    
 C    2.778000     -4.1999999E-02  -1.050400    
 C    3.294100       1.333300      0.9521000    
 C  -0.4455000       1.174900      0.4861000    
 C   -1.330500       1.157600     -0.7607000    
 C   -2.794600       1.183900     -0.4006000    
 C    5.002300     -0.1781000      3.4200002E-02
 C   -3.605800      6.4099997E-02 -0.1787000    
 C   -3.547000       2.300800     -0.2376000    
 C   -4.859000      0.5894000      0.1192000    
 C    5.695600     -0.1750000      -1.192700    
 C    5.707200     -0.5647000       1.191500    
 C   -3.448400      -1.332900     -0.1898000    
 C   -3.279800       3.743900     -0.3311000    
 C   -5.981400     -0.1839000      0.4105000    
 C   -4.559500      -2.137000      9.9200003E-02
 C    7.039300     -0.5433000      -1.259600    
 C    7.050900     -0.9331000       1.124700    
 C   -5.802400      -1.570400      0.3934000    
 C    7.716900     -0.9224000     -0.1009000    
 C   -3.132500      -4.013300     -0.2153000    
 H   0.7403000     -0.1490000      -1.542600    
 H    1.111000     -0.9433000     -6.5000001E-03
 H    1.632000      0.4312000       1.998800    
 H    1.562300       2.194000       1.874300    
 H    3.001700      -1.010300      -1.515600    
 H    2.935400      0.7408000      -1.803700    
 H    3.516000       2.266000      0.4174000    
 H    3.877200       1.346400       1.880100    
 H  -0.6894000      0.3224000       1.135000    
 H  -0.6704000       2.082100       1.062100    
 H   -1.181400      0.2616000      -1.370600    
 H   -1.096000       2.016400      -1.403000    
 H    5.204600      0.1268000      -2.114500    
 H    5.205600     -0.5931000       2.156300    
 H   -2.463700      -1.718200     -0.4227000    
 H   -2.326700       3.995600      0.1442000    
 H   -3.232900       4.055000      -1.379200    
 H   -4.063100       4.328100      0.1623000    
 H   -6.941900      0.2630000      0.6379000    
 H    7.559100     -0.5324000      -2.213200    
 H    7.578100      -1.231100       2.026300    
 H   -6.650900      -2.214100      0.6144000    
 H    8.763100      -1.209300     -0.1529000    
 H   -3.206100      -5.105200     -0.1762000    
 H   -2.390000      -3.717700      0.5338000    
 H   -2.823800      -3.751800      -1.233200    


%chk=000120973-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120973

0 1
O -4.980470 2.057686 0.156875
O -4.531012 -3.500323 -0.069160
N 0.958070 0.978860 0.177486
N 3.739087 0.145211 0.141609
C 1.388169 -0.226008 -0.569517
C 1.818760 1.145352 1.374312
C 2.858464 -0.114400 -1.013196
C 3.288664 1.300854 0.952616
C -0.487920 0.978591 0.506833
C -1.375387 1.308326 -0.724107
C -2.844592 1.325901 -0.383614
C 5.122628 -0.155184 0.046284
C -3.698445 0.156532 -0.188883
C -3.644270 2.439254 -0.168631
C -4.991080 0.645574 0.138309
C 5.704711 -0.639492 -1.165537
C 5.980643 -0.021935 1.182183
C -3.483617 -1.244481 -0.272952
C -3.396589 3.911224 -0.210959
C -6.093375 -0.184223 0.391222
C -4.586441 -2.093282 -0.022619
C 7.071591 -0.986307 -1.226335
C 7.345058 -0.361198 1.105409
C -5.874435 -1.572512 0.307104
C 7.908712 -0.850911 -0.097157
C -3.244677 -4.109724 -0.401799
H 0.761324 -0.343131 -1.471562
H 1.270412 -1.148981 0.056196
H 1.729692 0.274634 2.073321
H 1.502015 2.055778 1.916140
H 3.147223 -1.072265 -1.479380
H 2.947362 0.689053 -1.781344
H 3.390307 2.242241 0.365341
H 3.913495 1.395659 1.853689
H -0.815231 0.005959 0.953943
H -0.662549 1.754872 1.275400
H -1.196163 0.561778 -1.522434
H -1.046255 2.283012 -1.126447
H 5.103155 -0.725787 -2.074859
H 5.577086 0.319093 2.140898
H -2.496506 -1.642203 -0.525788
H -2.355608 4.116456 -0.510065
H -4.070703 4.408872 -0.932335
H -3.571193 4.377594 0.776656
H -7.076203 0.224784 0.640354
H 7.485068 -1.352456 -2.173661
H 7.970998 -0.253521 1.999177
H -6.683945 -2.284644 0.490504
H 8.969492 -1.116636 -0.150439
H -3.424504 -5.194770 -0.383184
H -2.468381 -3.848239 0.344687
H -2.902537 -3.806536 -1.411384


